REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1pn9_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDFYYLPGSA PCRAVQMTAA AVGVELNLKL TDLMKGEHMK PEFLKLNPQH DATA SEQUENCE CIPTLVDNGF ALWESRAIQI YLAEKYGKDD KLYPKDPQKR AVVNQRLYFD DATA SEQUENCE MGTLYQRFAD YHYPQIFAKQ PANPENEKKM KDAVGFLNTF LEGQEYAAGN DATA SEQUENCE DLTIADLSLA ATIATYEVAG FDFAPYPNVA AWFARCKANA PGYALNQAGA DATA SEQUENCE DEFKAKFLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 1 M C 0.000 176.350 176.300 0.083 0.000 1.140 1 M CA 0.000 55.348 55.300 0.080 0.000 0.988 1 M CB 0.000 32.633 32.600 0.055 0.000 1.302 2 D N 2.781 123.249 120.400 0.113 0.000 2.383 2 D HA 0.219 4.860 4.640 0.001 0.000 0.252 2 D C -0.985 175.403 176.300 0.146 0.000 1.166 2 D CA 0.533 54.566 54.000 0.054 0.000 0.879 2 D CB 1.008 41.844 40.800 0.061 0.000 1.164 2 D HN 0.285 8.655 8.370 -0.000 0.000 0.462 3 F N 3.945 123.802 119.950 -0.155 0.000 2.359 3 F HA 0.233 4.760 4.527 0.001 0.000 0.369 3 F C -1.173 174.590 175.800 -0.063 0.000 1.084 3 F CA -1.129 56.832 58.000 -0.065 0.000 1.096 3 F CB 0.069 38.978 39.000 -0.151 0.000 1.335 3 F HN 0.142 8.442 8.300 -0.000 0.000 0.457 4 Y N 7.137 127.372 120.300 -0.109 0.000 2.393 4 Y HA 0.359 4.909 4.550 0.001 0.000 0.338 4 Y C -0.153 175.537 175.900 -0.351 0.000 1.029 4 Y CA 0.115 58.151 58.100 -0.108 0.000 1.239 4 Y CB 0.085 38.613 38.460 0.113 0.000 1.170 4 Y HN 0.582 8.862 8.280 -0.000 0.000 0.515 5 Y N 0.701 120.727 120.300 -0.457 0.000 2.914 5 Y HA 0.813 5.363 4.550 0.000 0.000 0.327 5 Y C -2.538 173.222 175.900 -0.233 0.000 1.440 5 Y CA -2.692 55.125 58.100 -0.471 0.000 1.086 5 Y CB 0.999 38.937 38.460 -0.871 0.000 1.544 5 Y HN 0.355 8.635 8.280 -0.000 0.000 0.442 6 L N 1.749 122.500 121.223 -0.786 0.000 2.565 6 L HA 0.380 4.720 4.340 0.001 0.000 0.261 6 L C -2.091 174.512 176.870 -0.444 0.000 0.932 6 L CA -1.912 52.480 54.840 -0.746 0.000 0.878 6 L CB 3.336 45.199 42.059 -0.326 0.000 1.333 6 L HN 0.454 8.684 8.230 -0.000 0.000 0.409 7 P HA -0.126 4.294 4.420 -0.000 0.000 0.219 7 P C 1.223 178.562 177.300 0.065 0.000 1.146 7 P CA 1.273 64.399 63.100 0.043 0.000 0.808 7 P CB 0.321 32.063 31.700 0.070 0.000 0.779 8 G N -0.274 108.558 108.800 0.053 0.000 2.534 8 G HA2 -0.129 3.832 3.960 0.001 0.000 0.217 8 G HA3 -0.129 3.832 3.960 0.001 0.000 0.217 8 G C 0.776 175.735 174.900 0.097 0.000 1.128 8 G CA 0.082 45.288 45.100 0.177 0.000 0.784 8 G HN 0.381 8.671 8.290 -0.000 0.000 0.542 9 S N 0.399 116.127 115.700 0.046 0.000 2.455 9 S HA 0.506 4.976 4.470 0.001 0.000 0.278 9 S C 1.665 176.240 174.600 -0.042 0.000 1.216 9 S CA 0.212 58.416 58.200 0.008 0.000 1.055 9 S CB 1.065 64.274 63.200 0.015 0.000 0.939 9 S HN 0.419 8.729 8.310 -0.000 0.000 0.494 10 A N 8.497 131.233 122.820 -0.140 0.000 1.865 10 A HA 0.026 4.346 4.320 0.001 0.000 0.217 10 A C -0.144 177.347 177.584 -0.156 0.000 1.191 10 A CA 1.357 53.286 52.037 -0.180 0.000 0.623 10 A CB -1.622 17.210 19.000 -0.279 0.000 0.826 10 A HN 0.764 8.914 8.150 -0.000 0.000 0.444 11 P HA -0.139 4.281 4.420 -0.000 0.000 0.216 11 P C 1.475 178.801 177.300 0.042 0.000 1.150 11 P CA 1.490 64.517 63.100 -0.122 0.000 0.837 11 P CB -0.432 31.179 31.700 -0.148 0.000 0.786 12 C N -0.144 119.221 119.300 0.107 0.000 2.429 12 C HA -0.024 4.436 4.460 0.001 0.000 0.277 12 C C 2.929 178.108 174.990 0.315 0.000 1.262 12 C CA 0.635 59.840 59.018 0.313 0.000 1.733 12 C CB -1.654 26.271 27.740 0.309 0.000 2.010 12 C HN 0.254 8.484 8.230 -0.000 0.000 0.483 13 R N 0.989 121.588 120.500 0.166 0.000 2.120 13 R HA -0.108 4.232 4.340 0.001 0.000 0.234 13 R C 2.366 178.685 176.300 0.032 0.000 1.123 13 R CA 1.486 57.640 56.100 0.090 0.000 0.975 13 R CB -0.437 29.877 30.300 0.023 0.000 0.866 13 R HN 0.573 8.843 8.270 -0.000 0.000 0.446 14 A N 0.587 123.422 122.820 0.025 0.000 1.908 14 A HA -0.128 4.192 4.320 0.001 0.000 0.218 14 A C 2.307 179.887 177.584 -0.007 0.000 1.181 14 A CA 1.470 53.511 52.037 0.007 0.000 0.627 14 A CB -0.460 18.536 19.000 -0.006 0.000 0.818 14 A HN 0.126 8.276 8.150 -0.000 0.000 0.445 15 V N -0.004 119.920 119.914 0.016 0.000 2.427 15 V HA -0.293 3.827 4.120 0.001 0.000 0.248 15 V C 2.598 178.563 176.094 -0.215 0.000 1.051 15 V CA 2.096 64.354 62.300 -0.071 0.000 1.048 15 V CB -0.950 30.863 31.823 -0.016 0.000 0.666 15 V HN 0.635 8.825 8.190 -0.000 0.000 0.456 16 Q N -0.676 119.001 119.800 -0.206 0.000 2.084 16 Q HA -0.195 4.145 4.340 0.001 0.000 0.202 16 Q C 2.281 178.187 176.000 -0.157 0.000 0.978 16 Q CA 1.679 57.329 55.803 -0.255 0.000 0.844 16 Q CB -0.250 28.401 28.738 -0.146 0.000 0.898 16 Q HN 0.565 8.835 8.270 -0.000 0.000 0.426 17 M N -0.196 119.350 119.600 -0.091 0.000 2.175 17 M HA -0.121 4.360 4.480 0.001 0.000 0.264 17 M C 2.066 178.329 176.300 -0.060 0.000 1.063 17 M CA 1.255 56.521 55.300 -0.055 0.000 1.119 17 M CB -0.157 32.435 32.600 -0.013 0.000 1.377 17 M HN 0.163 8.453 8.290 -0.000 0.000 0.415 18 T N 0.701 115.212 114.554 -0.072 0.000 2.821 18 T HA -0.046 4.305 4.350 0.001 0.000 0.267 18 T C 1.879 176.526 174.700 -0.088 0.000 1.046 18 T CA 1.418 63.478 62.100 -0.068 0.000 1.139 18 T CB -0.239 68.590 68.868 -0.065 0.000 0.871 18 T HN 0.476 8.716 8.240 -0.000 0.000 0.454 19 A N 1.414 124.151 122.820 -0.138 0.000 1.930 19 A HA 0.259 4.579 4.320 0.001 0.000 0.217 19 A C 2.640 180.146 177.584 -0.130 0.000 1.175 19 A CA 1.597 53.538 52.037 -0.161 0.000 0.627 19 A CB -1.024 17.822 19.000 -0.257 0.000 0.815 19 A HN 0.485 8.635 8.150 -0.000 0.000 0.443 20 A N -0.018 122.732 122.820 -0.116 0.000 1.902 20 A HA 0.143 4.463 4.320 0.001 0.000 0.217 20 A C 2.461 180.008 177.584 -0.061 0.000 1.181 20 A CA 2.051 54.037 52.037 -0.084 0.000 0.623 20 A CB -0.937 18.023 19.000 -0.066 0.000 0.818 20 A HN 1.051 9.201 8.150 -0.000 0.000 0.443 21 A N -0.960 121.828 122.820 -0.054 0.000 2.015 21 A HA 0.098 4.419 4.320 0.001 0.000 0.219 21 A C 1.930 179.494 177.584 -0.034 0.000 1.163 21 A CA 1.674 53.688 52.037 -0.038 0.000 0.646 21 A CB -0.441 18.540 19.000 -0.033 0.000 0.806 21 A HN 0.428 8.578 8.150 -0.000 0.000 0.448 22 V N -1.076 118.813 119.914 -0.041 0.000 3.650 22 V HA 0.292 4.412 4.120 0.001 0.000 0.271 22 V C 1.564 177.636 176.094 -0.037 0.000 1.281 22 V CA 0.769 63.055 62.300 -0.023 0.000 1.120 22 V CB -0.626 31.196 31.823 -0.002 0.000 0.856 22 V HN 1.033 9.223 8.190 -0.000 0.000 0.443 23 G N 1.014 109.777 108.800 -0.063 0.000 2.225 23 G HA2 -0.195 3.766 3.960 0.001 0.000 0.264 23 G HA3 -0.195 3.766 3.960 0.001 0.000 0.264 23 G C -0.090 174.739 174.900 -0.117 0.000 1.060 23 G CA 0.261 45.318 45.100 -0.073 0.000 0.833 23 G HN 0.428 8.718 8.290 -0.000 0.000 0.498 24 V N -0.013 119.804 119.914 -0.162 0.000 2.459 24 V HA 0.561 4.681 4.120 0.001 0.000 0.295 24 V C 0.423 176.393 176.094 -0.207 0.000 1.029 24 V CA -0.765 61.387 62.300 -0.246 0.000 0.874 24 V CB 1.940 33.539 31.823 -0.374 0.000 0.985 24 V HN 0.487 8.677 8.190 -0.000 0.000 0.438 25 E N 4.448 124.537 120.200 -0.185 0.000 2.227 25 E HA 0.508 4.858 4.350 0.001 0.000 0.282 25 E C -1.267 175.236 176.600 -0.163 0.000 1.015 25 E CA -0.545 55.764 56.400 -0.153 0.000 0.823 25 E CB 1.041 30.676 29.700 -0.109 0.000 1.081 25 E HN 0.599 8.959 8.360 -0.000 0.000 0.396 26 L N 4.510 125.624 121.223 -0.181 0.000 2.307 26 L HA 0.288 4.628 4.340 0.001 0.000 0.282 26 L C 0.577 177.390 176.870 -0.094 0.000 1.051 26 L CA -0.604 54.131 54.840 -0.176 0.000 0.804 26 L CB 1.216 43.064 42.059 -0.351 0.000 1.197 26 L HN 0.611 8.841 8.230 -0.000 0.000 0.431 27 N N 4.625 123.300 118.700 -0.040 0.000 2.555 27 N HA 0.205 4.945 4.740 0.001 0.000 0.244 27 N C -0.613 174.891 175.510 -0.010 0.000 1.114 27 N CA -0.607 52.428 53.050 -0.025 0.000 0.963 27 N CB 0.456 38.932 38.487 -0.018 0.000 1.276 27 N HN 0.520 8.900 8.380 -0.000 0.000 0.510 28 L N 3.284 124.504 121.223 -0.004 0.000 2.513 28 L HA 0.062 4.402 4.340 0.001 0.000 0.272 28 L C 0.411 177.311 176.870 0.049 0.000 1.187 28 L CA 0.527 55.388 54.840 0.035 0.000 0.895 28 L CB 0.207 42.299 42.059 0.055 0.000 1.147 28 L HN 0.383 8.613 8.230 -0.000 0.000 0.483 29 K N 5.496 125.915 120.400 0.033 0.000 2.626 29 K HA 0.403 4.723 4.320 0.001 0.000 0.223 29 K C -0.866 175.739 176.600 0.009 0.000 0.992 29 K CA -0.525 55.709 56.287 -0.087 0.000 1.024 29 K CB 1.365 33.574 32.500 -0.484 0.000 1.225 29 K HN 0.468 8.718 8.250 -0.000 0.000 0.498 30 L N 2.169 123.404 121.223 0.022 0.000 2.559 30 L HA 0.035 4.375 4.340 0.001 0.000 0.274 30 L C 0.159 176.946 176.870 -0.138 0.000 1.205 30 L CA 0.650 55.400 54.840 -0.150 0.000 0.907 30 L CB 0.101 42.072 42.059 -0.147 0.000 1.153 30 L HN 0.487 8.717 8.230 -0.000 0.000 0.490 31 T N 1.679 116.111 114.554 -0.204 0.000 3.064 31 T HA 0.081 4.431 4.350 0.001 0.000 0.367 31 T C -0.330 174.241 174.700 -0.216 0.000 1.202 31 T CA -0.563 61.421 62.100 -0.194 0.000 1.133 31 T CB 0.389 69.106 68.868 -0.251 0.000 1.074 31 T HN 0.394 8.634 8.240 -0.000 0.000 0.519 32 D N 3.503 123.807 120.400 -0.161 0.000 2.367 32 D HA 0.107 4.748 4.640 0.001 0.000 0.255 32 D C 1.374 177.598 176.300 -0.126 0.000 1.300 32 D CA -0.252 53.664 54.000 -0.140 0.000 0.959 32 D CB 0.452 41.194 40.800 -0.097 0.000 1.064 32 D HN 0.455 8.825 8.370 -0.000 0.000 0.509 33 L N 3.022 124.117 121.223 -0.214 0.000 2.042 33 L HA -0.203 4.137 4.340 0.001 0.000 0.210 33 L C 2.244 179.053 176.870 -0.102 0.000 1.076 33 L CA 0.702 55.338 54.840 -0.339 0.000 0.749 33 L CB -0.413 41.320 42.059 -0.543 0.000 0.893 33 L HN 0.428 8.658 8.230 -0.000 0.000 0.432 34 M N -0.056 119.497 119.600 -0.077 0.000 2.530 34 M HA -0.157 4.323 4.480 0.001 0.000 0.261 34 M C 1.417 177.711 176.300 -0.009 0.000 1.067 34 M CA 1.543 56.830 55.300 -0.023 0.000 1.071 34 M CB -0.932 31.654 32.600 -0.022 0.000 1.405 34 M HN 0.245 8.535 8.290 -0.000 0.000 0.478 35 K N -0.904 119.490 120.400 -0.009 0.000 2.438 35 K HA 0.343 4.663 4.320 0.001 0.000 0.205 35 K C 0.926 177.528 176.600 0.002 0.000 1.033 35 K CA 0.307 56.588 56.287 -0.010 0.000 1.089 35 K CB 0.552 33.036 32.500 -0.027 0.000 0.857 35 K HN 0.379 8.629 8.250 -0.000 0.000 0.522 36 G N 2.160 110.996 108.800 0.060 0.000 2.168 36 G HA2 -0.326 3.635 3.960 0.001 0.000 0.257 36 G HA3 -0.326 3.635 3.960 0.001 0.000 0.257 36 G C 0.565 175.444 174.900 -0.035 0.000 0.997 36 G CA 0.688 45.794 45.100 0.010 0.000 0.708 36 G HN 0.480 8.770 8.290 -0.000 0.000 0.520 37 E N -0.277 119.944 120.200 0.036 0.000 2.204 37 E HA -0.164 4.186 4.350 0.001 0.000 0.195 37 E C 2.085 178.617 176.600 -0.115 0.000 0.990 37 E CA 1.154 57.526 56.400 -0.047 0.000 0.821 37 E CB -0.229 29.430 29.700 -0.069 0.000 0.750 37 E HN 0.928 9.288 8.360 -0.000 0.000 0.477 38 H N -0.342 118.553 119.070 -0.291 0.000 2.524 38 H HA 0.063 4.619 4.556 0.001 0.000 0.282 38 H C 1.430 176.734 175.328 -0.041 0.000 1.016 38 H CA 0.548 56.365 56.048 -0.385 0.000 1.270 38 H CB -0.061 29.527 29.762 -0.289 0.000 1.394 38 H HN 0.094 8.374 8.280 -0.000 0.000 0.568 39 M N 0.908 120.205 119.600 -0.505 0.000 2.495 39 M HA 0.140 4.620 4.480 0.001 0.000 0.237 39 M C 0.628 176.829 176.300 -0.165 0.000 1.131 39 M CA -0.121 54.937 55.300 -0.404 0.000 1.032 39 M CB -0.193 32.083 32.600 -0.541 0.000 1.513 39 M HN 0.116 8.406 8.290 -0.000 0.000 0.488 40 K N 1.668 122.017 120.400 -0.084 0.000 2.401 40 K HA 0.033 4.353 4.320 0.001 0.000 0.278 40 K C -1.695 174.909 176.600 0.008 0.000 1.018 40 K CA -1.088 55.181 56.287 -0.029 0.000 0.981 40 K CB 1.352 33.850 32.500 -0.003 0.000 0.933 40 K HN -0.144 8.106 8.250 -0.000 0.000 0.477 41 P HA -0.256 4.164 4.420 -0.000 0.000 0.217 41 P C 0.387 177.683 177.300 -0.007 0.000 1.158 41 P CA 1.395 64.486 63.100 -0.015 0.000 0.887 41 P CB 0.222 31.913 31.700 -0.016 0.000 0.792 42 E N -1.785 118.425 120.200 0.017 0.000 2.077 42 E HA -0.164 4.186 4.350 0.001 0.000 0.193 42 E C 1.918 178.516 176.600 -0.003 0.000 0.989 42 E CA 0.955 57.364 56.400 0.016 0.000 0.800 42 E CB -1.039 28.689 29.700 0.048 0.000 0.746 42 E HN 0.303 8.663 8.360 -0.000 0.000 0.452 43 F N 1.109 120.978 119.950 -0.136 0.000 2.146 43 F HA -0.147 4.380 4.527 0.000 0.000 0.298 43 F C 2.157 177.821 175.800 -0.228 0.000 1.096 43 F CA 0.627 58.485 58.000 -0.236 0.000 1.275 43 F CB -0.272 38.595 39.000 -0.221 0.000 1.008 43 F HN -0.015 8.285 8.300 -0.000 0.000 0.480 44 L N 0.998 122.159 121.223 -0.103 0.000 2.081 44 L HA -0.253 4.087 4.340 0.001 0.000 0.212 44 L C 2.198 178.924 176.870 -0.240 0.000 1.080 44 L CA 1.905 56.644 54.840 -0.168 0.000 0.754 44 L CB -0.872 41.150 42.059 -0.061 0.000 0.893 44 L HN 0.103 8.333 8.230 -0.000 0.000 0.433 45 K N -1.269 119.020 120.400 -0.185 0.000 2.211 45 K HA -0.081 4.239 4.320 0.001 0.000 0.203 45 K C 1.940 178.415 176.600 -0.208 0.000 1.050 45 K CA 0.995 57.192 56.287 -0.151 0.000 0.945 45 K CB -0.101 32.346 32.500 -0.088 0.000 0.732 45 K HN 0.338 8.588 8.250 -0.000 0.000 0.451 46 L N 0.032 121.044 121.223 -0.350 0.000 2.249 46 L HA 0.013 4.353 4.340 0.001 0.000 0.207 46 L C 0.651 177.202 176.870 -0.532 0.000 1.090 46 L CA 0.279 54.885 54.840 -0.390 0.000 0.802 46 L CB 0.045 41.807 42.059 -0.495 0.000 0.947 46 L HN 0.134 8.364 8.230 -0.000 0.000 0.453 47 N N -0.262 117.926 118.700 -0.853 0.000 2.653 47 N HA 0.145 4.885 4.740 0.001 0.000 0.261 47 N C -2.169 172.828 175.510 -0.856 0.000 1.216 47 N CA -1.724 50.597 53.050 -1.215 0.000 0.784 47 N CB 1.331 38.862 38.487 -1.594 0.000 1.327 47 N HN -0.233 8.147 8.380 -0.000 0.000 0.539 48 P HA -0.156 4.264 4.420 -0.000 0.000 0.223 48 P C 0.712 177.814 177.300 -0.329 0.000 1.144 48 P CA 0.986 63.909 63.100 -0.295 0.000 0.783 48 P CB 0.546 32.159 31.700 -0.145 0.000 0.771 49 Q N -0.186 119.280 119.800 -0.557 0.000 2.444 49 Q HA -0.058 4.283 4.340 0.001 0.000 0.206 49 Q C -0.128 175.367 176.000 -0.841 0.000 0.948 49 Q CA -0.045 55.393 55.803 -0.608 0.000 0.946 49 Q CB -0.899 27.589 28.738 -0.416 0.000 1.027 49 Q HN 0.470 8.740 8.270 -0.000 0.000 0.513 50 H N -2.660 116.260 119.070 -0.250 0.000 2.394 50 H HA -0.208 4.348 4.556 0.000 0.000 0.322 50 H C -1.148 174.288 175.328 0.180 0.000 1.012 50 H CA 0.492 56.567 56.048 0.045 0.000 1.084 50 H CB -2.883 26.900 29.762 0.036 0.000 1.597 50 H HN 0.281 8.561 8.280 -0.000 0.000 0.375 51 C N 0.520 119.890 119.300 0.116 0.000 2.994 51 C HA 0.894 5.354 4.460 0.001 0.000 0.304 51 C C 0.450 175.523 174.990 0.138 0.000 1.273 51 C CA -0.935 58.144 59.018 0.102 0.000 1.537 51 C CB 1.338 29.079 27.740 0.002 0.000 2.001 51 C HN 0.962 9.192 8.230 -0.000 0.000 0.471 52 I N -0.510 120.106 120.570 0.077 0.000 2.693 52 I HA 0.810 4.980 4.170 0.001 0.000 0.303 52 I C -2.484 173.677 176.117 0.074 0.000 1.025 52 I CA -2.229 59.116 61.300 0.075 0.000 1.086 52 I CB 1.911 39.892 38.000 -0.032 0.000 1.268 52 I HN 0.563 8.773 8.210 -0.000 0.000 0.440 53 P HA 0.246 4.666 4.420 -0.000 0.000 0.277 53 P C -0.771 176.666 177.300 0.229 0.000 1.240 53 P CA -0.024 63.142 63.100 0.109 0.000 0.798 53 P CB 1.283 33.124 31.700 0.235 0.000 0.979 54 T N 2.554 117.265 114.554 0.262 0.000 2.937 54 T HA 0.416 4.766 4.350 0.001 0.000 0.297 54 T C -0.539 174.407 174.700 0.410 0.000 0.991 54 T CA -0.346 61.951 62.100 0.327 0.000 0.990 54 T CB 0.855 69.862 68.868 0.232 0.000 0.991 54 T HN 0.287 8.527 8.240 -0.000 0.000 0.440 55 L N 4.320 125.744 121.223 0.334 0.000 2.331 55 L HA 0.866 5.206 4.340 0.001 0.000 0.275 55 L C -1.193 175.791 176.870 0.190 0.000 1.022 55 L CA -0.517 54.521 54.840 0.330 0.000 0.812 55 L CB 1.610 43.835 42.059 0.277 0.000 1.257 55 L HN 0.442 8.672 8.230 -0.000 0.000 0.435 56 V N 3.877 123.926 119.914 0.226 0.000 2.385 56 V HA 0.302 4.422 4.120 0.001 0.000 0.277 56 V C -1.019 175.184 176.094 0.182 0.000 1.012 56 V CA -0.605 61.790 62.300 0.159 0.000 0.832 56 V CB 1.136 33.089 31.823 0.216 0.000 1.028 56 V HN 0.735 8.925 8.190 -0.000 0.000 0.436 57 D N 4.873 125.398 120.400 0.208 0.000 2.441 57 D HA 0.154 4.794 4.640 0.001 0.000 0.221 57 D C 0.648 177.110 176.300 0.270 0.000 1.156 57 D CA -0.100 54.072 54.000 0.287 0.000 0.896 57 D CB -0.005 41.083 40.800 0.480 0.000 1.028 57 D HN 0.592 8.962 8.370 -0.000 0.000 0.509 58 N N 3.336 122.153 118.700 0.195 0.000 2.696 58 N HA -0.235 4.505 4.740 0.001 0.000 0.256 58 N C 0.976 176.588 175.510 0.169 0.000 1.031 58 N CA 1.740 54.887 53.050 0.162 0.000 0.730 58 N CB -1.084 37.498 38.487 0.158 0.000 0.894 58 N HN 0.736 9.116 8.380 -0.000 0.000 0.544 59 G N -0.590 108.306 108.800 0.160 0.000 2.284 59 G HA2 -0.334 3.627 3.960 0.001 0.000 0.247 59 G HA3 -0.334 3.627 3.960 0.001 0.000 0.247 59 G C 0.082 175.099 174.900 0.196 0.000 1.012 59 G CA 0.269 45.459 45.100 0.150 0.000 0.618 59 G HN 0.793 9.083 8.290 -0.000 0.000 0.521 60 F N 3.183 123.165 119.950 0.053 0.000 2.413 60 F HA 0.719 5.246 4.527 0.000 0.000 0.359 60 F C 0.478 176.287 175.800 0.014 0.000 1.122 60 F CA -1.143 56.863 58.000 0.011 0.000 1.160 60 F CB 0.456 39.441 39.000 -0.024 0.000 1.146 60 F HN 0.507 8.807 8.300 -0.000 0.000 0.514 61 A N 7.052 129.657 122.820 -0.359 0.000 2.328 61 A HA 0.630 4.950 4.320 0.001 0.000 0.284 61 A C -1.484 175.696 177.584 -0.672 0.000 1.160 61 A CA -0.503 51.344 52.037 -0.317 0.000 0.818 61 A CB 0.590 19.570 19.000 -0.033 0.000 1.087 61 A HN 0.876 9.026 8.150 -0.000 0.000 0.504 62 L N 3.066 124.034 121.223 -0.425 0.000 2.493 62 L HA 0.826 5.167 4.340 0.001 0.000 0.265 62 L C -1.048 175.818 176.870 -0.007 0.000 0.954 62 L CA -0.281 54.258 54.840 -0.503 0.000 0.844 62 L CB 1.343 42.946 42.059 -0.761 0.000 1.302 62 L HN 0.930 9.160 8.230 -0.000 0.000 0.405 63 W N 2.720 123.920 121.300 -0.166 0.000 3.207 63 W HA 0.875 5.535 4.660 0.000 0.000 0.326 63 W C -0.900 175.594 176.519 -0.043 0.000 1.190 63 W CA -0.789 56.515 57.345 -0.069 0.000 1.011 63 W CB 0.657 30.079 29.460 -0.063 0.000 1.511 63 W HN 0.608 8.788 8.180 -0.000 0.000 0.606 64 E N 0.449 120.783 120.200 0.224 0.000 7.230 64 E HA -0.189 4.161 4.350 0.001 0.000 0.212 64 E C 1.157 177.787 176.600 0.049 0.000 0.998 64 E CA 0.767 57.220 56.400 0.088 0.000 1.594 64 E CB -1.101 28.581 29.700 -0.028 0.000 0.917 64 E HN 0.758 9.118 8.360 -0.000 0.000 0.275 65 S N 3.115 118.853 115.700 0.063 0.000 2.372 65 S HA -0.284 4.186 4.470 0.001 0.000 0.227 65 S C 1.559 176.160 174.600 0.001 0.000 1.044 65 S CA 1.651 59.884 58.200 0.054 0.000 1.050 65 S CB -0.118 63.099 63.200 0.028 0.000 0.901 65 S HN 0.574 8.884 8.310 -0.000 0.000 0.447 66 R N 1.523 121.993 120.500 -0.051 0.000 2.148 66 R HA 0.199 4.540 4.340 0.001 0.000 0.227 66 R C 2.669 178.906 176.300 -0.104 0.000 1.103 66 R CA 0.996 57.037 56.100 -0.100 0.000 0.983 66 R CB -0.616 29.587 30.300 -0.163 0.000 0.874 66 R HN 0.611 8.881 8.270 -0.000 0.000 0.451 67 A N 1.165 123.939 122.820 -0.077 0.000 1.930 67 A HA -0.048 4.273 4.320 0.001 0.000 0.215 67 A C 2.087 179.671 177.584 0.001 0.000 1.176 67 A CA 0.830 52.831 52.037 -0.060 0.000 0.632 67 A CB -0.255 18.691 19.000 -0.091 0.000 0.819 67 A HN 0.134 8.284 8.150 -0.000 0.000 0.445 68 I N -0.392 120.192 120.570 0.022 0.000 2.226 68 I HA -0.314 3.856 4.170 0.001 0.000 0.245 68 I C 2.784 178.961 176.117 0.099 0.000 1.100 68 I CA 1.409 62.773 61.300 0.105 0.000 1.374 68 I CB -0.440 37.632 38.000 0.121 0.000 1.057 68 I HN 0.428 8.638 8.210 -0.000 0.000 0.413 69 Q N 0.647 120.448 119.800 0.003 0.000 2.030 69 Q HA -0.215 4.126 4.340 0.001 0.000 0.204 69 Q C 2.398 178.318 176.000 -0.134 0.000 0.986 69 Q CA 1.735 57.501 55.803 -0.062 0.000 0.843 69 Q CB -0.184 28.496 28.738 -0.097 0.000 0.904 69 Q HN 0.536 8.806 8.270 -0.000 0.000 0.420 70 I N -0.261 120.185 120.570 -0.207 0.000 2.226 70 I HA -0.306 3.864 4.170 0.001 0.000 0.245 70 I C 2.338 178.385 176.117 -0.117 0.000 1.100 70 I CA 1.267 62.349 61.300 -0.363 0.000 1.374 70 I CB -0.400 37.393 38.000 -0.344 0.000 1.057 70 I HN 0.245 8.455 8.210 -0.000 0.000 0.413 71 Y N 1.837 122.085 120.300 -0.088 0.000 2.128 71 Y HA -0.256 4.294 4.550 0.001 0.000 0.284 71 Y C 2.281 178.187 175.900 0.010 0.000 1.154 71 Y CA 1.660 59.755 58.100 -0.009 0.000 1.149 71 Y CB -0.388 38.114 38.460 0.070 0.000 0.976 71 Y HN 0.021 8.301 8.280 -0.000 0.000 0.505 72 L N -0.457 120.741 121.223 -0.042 0.000 2.056 72 L HA -0.191 4.149 4.340 0.001 0.000 0.207 72 L C 2.813 179.648 176.870 -0.059 0.000 1.078 72 L CA 1.113 55.933 54.840 -0.033 0.000 0.749 72 L CB -1.087 40.998 42.059 0.044 0.000 0.901 72 L HN 0.338 8.568 8.230 -0.000 0.000 0.433 73 A N 0.218 122.987 122.820 -0.085 0.000 1.877 73 A HA -0.216 4.105 4.320 0.001 0.000 0.216 73 A C 2.170 179.729 177.584 -0.043 0.000 1.186 73 A CA 1.744 53.749 52.037 -0.054 0.000 0.620 73 A CB -0.439 18.512 19.000 -0.080 0.000 0.822 73 A HN 0.468 8.618 8.150 -0.000 0.000 0.443 74 E N -0.668 119.491 120.200 -0.069 0.000 2.072 74 E HA -0.170 4.181 4.350 0.001 0.000 0.190 74 E C 2.108 178.592 176.600 -0.193 0.000 0.982 74 E CA 1.336 57.701 56.400 -0.059 0.000 0.803 74 E CB -0.122 29.573 29.700 -0.009 0.000 0.755 74 E HN 0.652 9.012 8.360 -0.000 0.000 0.453 75 K N -0.013 120.151 120.400 -0.395 0.000 2.076 75 K HA -0.094 4.226 4.320 0.001 0.000 0.204 75 K C 1.132 177.295 176.600 -0.728 0.000 1.051 75 K CA 1.126 57.005 56.287 -0.680 0.000 0.949 75 K CB 0.163 31.953 32.500 -1.183 0.000 0.726 75 K HN 0.094 8.344 8.250 -0.000 0.000 0.443 76 Y N -0.583 119.603 120.300 -0.190 0.000 2.430 76 Y HA 0.322 4.872 4.550 0.001 0.000 0.248 76 Y C 0.925 176.773 175.900 -0.087 0.000 1.108 76 Y CA -0.317 57.707 58.100 -0.126 0.000 1.264 76 Y CB 0.444 38.826 38.460 -0.130 0.000 1.172 76 Y HN -0.016 8.264 8.280 -0.000 0.000 0.520 77 G N 2.196 111.012 108.800 0.026 0.000 2.442 77 G HA2 0.345 4.306 3.960 0.001 0.000 0.249 77 G HA3 0.345 4.306 3.960 0.001 0.000 0.249 77 G C -0.381 174.525 174.900 0.008 0.000 1.263 77 G CA -0.598 44.514 45.100 0.020 0.000 0.846 77 G HN 0.247 8.537 8.290 -0.000 0.000 0.555 78 K N 1.075 121.481 120.400 0.011 0.000 2.221 78 K HA 0.506 4.826 4.320 0.001 0.000 0.258 78 K C -0.669 175.933 176.600 0.004 0.000 0.944 78 K CA -0.584 55.706 56.287 0.004 0.000 0.823 78 K CB 1.893 34.396 32.500 0.005 0.000 1.113 78 K HN 0.372 8.622 8.250 -0.000 0.000 0.431 79 D N 1.152 121.552 120.400 0.000 0.000 3.012 79 D HA -0.179 4.462 4.640 0.001 0.000 0.222 79 D C -0.763 175.539 176.300 0.004 0.000 1.167 79 D CA 1.548 55.548 54.000 -0.000 0.000 0.854 79 D CB -1.168 39.632 40.800 -0.001 0.000 1.107 79 D HN 0.899 9.269 8.370 -0.000 0.000 0.421 80 D N -1.146 119.262 120.400 0.012 0.000 2.844 80 D HA -0.282 4.358 4.640 0.001 0.000 0.227 80 D C 1.057 177.376 176.300 0.032 0.000 1.169 80 D CA 1.265 55.284 54.000 0.031 0.000 0.680 80 D CB -0.589 40.221 40.800 0.016 0.000 1.062 80 D HN 0.597 8.967 8.370 -0.000 0.000 0.421 81 K N -0.425 119.986 120.400 0.019 0.000 2.362 81 K HA -0.115 4.205 4.320 0.001 0.000 0.202 81 K C 1.893 178.501 176.600 0.013 0.000 1.045 81 K CA 0.824 57.116 56.287 0.009 0.000 0.936 81 K CB 0.098 32.597 32.500 -0.002 0.000 0.747 81 K HN 0.381 8.631 8.250 -0.000 0.000 0.467 82 L N -1.695 119.554 121.223 0.044 0.000 2.966 82 L HA 0.182 4.523 4.340 0.001 0.000 0.262 82 L C -0.323 176.653 176.870 0.176 0.000 1.165 82 L CA -0.358 54.519 54.840 0.063 0.000 0.978 82 L CB 0.651 42.731 42.059 0.035 0.000 1.337 82 L HN 0.037 8.267 8.230 -0.000 0.000 0.563 83 Y N 2.207 122.496 120.300 -0.018 0.000 2.532 83 Y HA 0.310 4.861 4.550 0.000 0.000 0.318 83 Y C -2.576 173.318 175.900 -0.012 0.000 1.138 83 Y CA -2.913 55.180 58.100 -0.011 0.000 1.306 83 Y CB 0.855 39.309 38.460 -0.010 0.000 1.106 83 Y HN -0.133 8.147 8.280 -0.000 0.000 0.588 84 P HA 0.008 4.428 4.420 -0.000 0.000 0.265 84 P C 0.045 177.198 177.300 -0.246 0.000 1.187 84 P CA 0.323 63.336 63.100 -0.145 0.000 0.766 84 P CB 1.418 33.057 31.700 -0.102 0.000 0.820 85 K N 0.748 121.057 120.400 -0.152 0.000 2.228 85 K HA -0.058 4.262 4.320 0.001 0.000 0.202 85 K C 0.571 177.095 176.600 -0.126 0.000 1.051 85 K CA 0.415 56.617 56.287 -0.143 0.000 0.960 85 K CB -0.230 32.223 32.500 -0.079 0.000 0.743 85 K HN 0.542 8.792 8.250 -0.000 0.000 0.458 86 D N 1.604 121.942 120.400 -0.103 0.000 2.502 86 D HA -0.037 4.603 4.640 0.001 0.000 0.249 86 D C -1.807 174.435 176.300 -0.096 0.000 1.188 86 D CA -1.256 52.695 54.000 -0.081 0.000 0.890 86 D CB 1.065 41.827 40.800 -0.064 0.000 1.140 86 D HN -0.152 8.218 8.370 -0.000 0.000 0.505 87 P HA -0.253 4.167 4.420 -0.000 0.000 0.217 87 P C 1.154 178.413 177.300 -0.069 0.000 1.158 87 P CA 1.470 64.527 63.100 -0.071 0.000 0.887 87 P CB 0.098 31.768 31.700 -0.050 0.000 0.792 88 Q N -0.238 119.527 119.800 -0.058 0.000 2.016 88 Q HA -0.183 4.157 4.340 0.001 0.000 0.200 88 Q C 2.028 177.992 176.000 -0.060 0.000 0.978 88 Q CA 1.710 57.482 55.803 -0.052 0.000 0.833 88 Q CB -0.235 28.477 28.738 -0.042 0.000 0.895 88 Q HN 0.142 8.412 8.270 -0.000 0.000 0.427 89 K N -0.033 120.328 120.400 -0.065 0.000 2.097 89 K HA -0.182 4.139 4.320 0.001 0.000 0.206 89 K C 2.211 178.756 176.600 -0.092 0.000 1.049 89 K CA 1.286 57.533 56.287 -0.066 0.000 0.933 89 K CB -0.155 32.309 32.500 -0.061 0.000 0.717 89 K HN 0.131 8.381 8.250 -0.000 0.000 0.442 90 R N 0.917 121.333 120.500 -0.141 0.000 2.115 90 R HA -0.069 4.271 4.340 0.001 0.000 0.226 90 R C 2.174 178.415 176.300 -0.097 0.000 1.100 90 R CA 1.175 57.143 56.100 -0.219 0.000 0.980 90 R CB -0.143 29.958 30.300 -0.332 0.000 0.875 90 R HN 0.163 8.433 8.270 -0.000 0.000 0.445 91 A N 0.348 123.130 122.820 -0.063 0.000 1.902 91 A HA -0.111 4.210 4.320 0.001 0.000 0.217 91 A C 2.214 179.789 177.584 -0.015 0.000 1.181 91 A CA 1.668 53.691 52.037 -0.022 0.000 0.623 91 A CB -0.579 18.400 19.000 -0.035 0.000 0.818 91 A HN 0.217 8.367 8.150 -0.000 0.000 0.443 92 V N -0.376 119.513 119.914 -0.041 0.000 2.295 92 V HA -0.238 3.882 4.120 0.001 0.000 0.246 92 V C 2.570 178.652 176.094 -0.022 0.000 1.049 92 V CA 1.992 64.256 62.300 -0.060 0.000 1.024 92 V CB -0.871 30.910 31.823 -0.069 0.000 0.648 92 V HN 0.374 8.564 8.190 -0.000 0.000 0.447 93 V N 0.672 120.598 119.914 0.020 0.000 2.295 93 V HA -0.257 3.863 4.120 0.001 0.000 0.246 93 V C 2.367 178.542 176.094 0.136 0.000 1.049 93 V CA 2.205 64.560 62.300 0.091 0.000 1.024 93 V CB -0.868 31.049 31.823 0.157 0.000 0.648 93 V HN 0.573 8.763 8.190 -0.000 0.000 0.447 94 N N -0.019 118.779 118.700 0.164 0.000 2.120 94 N HA -0.201 4.539 4.740 0.001 0.000 0.188 94 N C 1.939 177.605 175.510 0.260 0.000 1.024 94 N CA 1.409 54.593 53.050 0.222 0.000 0.852 94 N CB -0.440 38.202 38.487 0.257 0.000 1.003 94 N HN 0.491 8.871 8.380 -0.000 0.000 0.424 95 Q N 1.098 120.994 119.800 0.161 0.000 2.170 95 Q HA -0.091 4.250 4.340 0.001 0.000 0.203 95 Q C 1.551 177.627 176.000 0.128 0.000 0.976 95 Q CA 1.196 57.076 55.803 0.129 0.000 0.858 95 Q CB 0.072 28.790 28.738 -0.034 0.000 0.907 95 Q HN 0.062 8.332 8.270 -0.000 0.000 0.433 96 R N 0.101 120.639 120.500 0.064 0.000 2.090 96 R HA 0.070 4.410 4.340 0.001 0.000 0.228 96 R C 2.358 178.778 176.300 0.201 0.000 1.110 96 R CA 0.776 56.931 56.100 0.092 0.000 0.973 96 R CB -0.583 29.737 30.300 0.033 0.000 0.869 96 R HN 0.291 8.561 8.270 -0.000 0.000 0.440 97 L N -1.345 119.952 121.223 0.125 0.000 2.027 97 L HA -0.162 4.178 4.340 0.001 0.000 0.206 97 L C 1.850 178.713 176.870 -0.011 0.000 1.074 97 L CA 1.274 56.127 54.840 0.022 0.000 0.745 97 L CB -0.472 41.531 42.059 -0.092 0.000 0.898 97 L HN 0.170 8.400 8.230 -0.000 0.000 0.433 98 Y N -1.039 119.328 120.300 0.110 0.000 2.242 98 Y HA -0.281 4.270 4.550 0.001 0.000 0.291 98 Y C 2.368 178.347 175.900 0.133 0.000 1.137 98 Y CA 1.587 59.746 58.100 0.098 0.000 1.181 98 Y CB -0.514 37.993 38.460 0.078 0.000 0.989 98 Y HN 0.090 8.370 8.280 -0.000 0.000 0.527 99 F N 1.089 121.147 119.950 0.180 0.000 2.102 99 F HA -0.218 4.310 4.527 0.000 0.000 0.298 99 F C 2.135 178.025 175.800 0.150 0.000 1.105 99 F CA 2.001 60.095 58.000 0.156 0.000 1.239 99 F CB -0.612 38.486 39.000 0.163 0.000 0.991 99 F HN 0.075 8.375 8.300 -0.000 0.000 0.474 100 D N 0.016 120.465 120.400 0.082 0.000 2.104 100 D HA -0.284 4.356 4.640 0.001 0.000 0.194 100 D C 2.366 178.651 176.300 -0.026 0.000 0.994 100 D CA 2.050 56.031 54.000 -0.032 0.000 0.830 100 D CB -0.277 40.570 40.800 0.078 0.000 0.959 100 D HN 0.457 8.827 8.370 -0.000 0.000 0.452 101 M N -0.832 118.781 119.600 0.021 0.000 2.098 101 M HA 0.039 4.519 4.480 0.001 0.000 0.262 101 M C 2.059 178.411 176.300 0.087 0.000 1.072 101 M CA 2.015 57.356 55.300 0.069 0.000 1.133 101 M CB -0.162 32.465 32.600 0.045 0.000 1.344 101 M HN 0.108 8.398 8.290 -0.000 0.000 0.414 102 G N -1.404 107.440 108.800 0.073 0.000 2.572 102 G HA2 -0.030 3.930 3.960 0.001 0.000 0.216 102 G HA3 -0.030 3.930 3.960 0.001 0.000 0.216 102 G C 1.006 175.903 174.900 -0.004 0.000 1.133 102 G CA 1.142 46.281 45.100 0.065 0.000 0.791 102 G HN 0.492 8.782 8.290 -0.000 0.000 0.538 103 T N -0.220 114.247 114.554 -0.146 0.000 3.272 103 T HA 0.117 4.467 4.350 0.001 0.000 0.247 103 T C 1.924 176.478 174.700 -0.244 0.000 0.990 103 T CA 0.113 62.085 62.100 -0.214 0.000 1.213 103 T CB -0.314 68.356 68.868 -0.330 0.000 1.124 103 T HN 0.023 8.263 8.240 -0.000 0.000 0.401 104 L N 0.713 121.631 121.223 -0.508 0.000 1.976 104 L HA 0.035 4.376 4.340 0.001 0.000 0.209 104 L C 2.220 179.167 176.870 0.127 0.000 1.071 104 L CA 1.912 56.621 54.840 -0.217 0.000 0.746 104 L CB -0.700 41.164 42.059 -0.326 0.000 0.890 104 L HN 0.347 8.577 8.230 -0.000 0.000 0.432 105 Y N -0.485 119.816 120.300 0.000 0.000 2.220 105 Y HA -0.226 4.325 4.550 0.001 0.000 0.291 105 Y C 2.726 178.680 175.900 0.090 0.000 1.129 105 Y CA 1.859 60.010 58.100 0.085 0.000 1.161 105 Y CB -0.293 38.173 38.460 0.011 0.000 0.997 105 Y HN 0.392 8.672 8.280 -0.000 0.000 0.522 106 Q N 0.853 120.659 119.800 0.010 0.000 2.112 106 Q HA -0.213 4.128 4.340 0.001 0.000 0.206 106 Q C 2.135 178.061 176.000 -0.123 0.000 0.987 106 Q CA 2.184 57.945 55.803 -0.069 0.000 0.858 106 Q CB -0.237 28.507 28.738 0.010 0.000 0.905 106 Q HN 0.454 8.724 8.270 -0.000 0.000 0.420 107 R N -1.194 119.277 120.500 -0.048 0.000 2.148 107 R HA -0.035 4.305 4.340 0.001 0.000 0.223 107 R C 2.118 178.377 176.300 -0.069 0.000 1.088 107 R CA 0.888 56.967 56.100 -0.035 0.000 0.985 107 R CB -0.361 29.950 30.300 0.017 0.000 0.880 107 R HN 0.311 8.581 8.270 -0.000 0.000 0.451 108 F N 1.665 121.476 119.950 -0.231 0.000 2.075 108 F HA -0.169 4.359 4.527 0.001 0.000 0.297 108 F C 2.322 177.968 175.800 -0.256 0.000 1.113 108 F CA 1.601 59.418 58.000 -0.304 0.000 1.218 108 F CB -0.342 38.379 39.000 -0.465 0.000 0.984 108 F HN -0.038 8.262 8.300 -0.000 0.000 0.472 109 A N 0.131 122.680 122.820 -0.451 0.000 1.902 109 A HA -0.208 4.113 4.320 0.001 0.000 0.217 109 A C 1.945 179.210 177.584 -0.531 0.000 1.181 109 A CA 2.011 53.492 52.037 -0.927 0.000 0.623 109 A CB -1.124 17.025 19.000 -1.418 0.000 0.818 109 A HN 0.484 8.634 8.150 -0.000 0.000 0.443 110 D N -1.730 118.487 120.400 -0.304 0.000 2.133 110 D HA -0.180 4.460 4.640 0.001 0.000 0.195 110 D C 1.659 177.914 176.300 -0.076 0.000 0.997 110 D CA 1.751 55.672 54.000 -0.131 0.000 0.840 110 D CB -0.388 40.371 40.800 -0.069 0.000 0.947 110 D HN 0.640 9.010 8.370 -0.000 0.000 0.452 111 Y N 0.436 120.568 120.300 -0.280 0.000 2.243 111 Y HA -0.107 4.443 4.550 0.000 0.000 0.293 111 Y C 2.323 177.998 175.900 -0.375 0.000 1.124 111 Y CA 1.510 59.401 58.100 -0.348 0.000 1.159 111 Y CB -0.048 38.113 38.460 -0.499 0.000 1.008 111 Y HN 0.081 8.361 8.280 -0.000 0.000 0.527 112 H N -2.044 116.864 119.070 -0.272 0.000 2.431 112 H HA -0.056 4.500 4.556 0.001 0.000 0.295 112 H C 1.916 177.323 175.328 0.131 0.000 1.038 112 H CA 1.263 57.201 56.048 -0.183 0.000 1.360 112 H CB -0.499 29.123 29.762 -0.234 0.000 1.433 112 H HN 0.304 8.584 8.280 -0.000 0.000 0.536 113 Y N 0.855 121.231 120.300 0.126 0.000 2.114 113 Y HA -0.120 4.430 4.550 0.000 0.000 0.282 113 Y C -0.323 175.712 175.900 0.226 0.000 1.165 113 Y CA 0.766 59.045 58.100 0.298 0.000 1.148 113 Y CB -1.811 36.771 38.460 0.203 0.000 0.972 113 Y HN 0.261 8.541 8.280 -0.000 0.000 0.504 114 P HA -0.151 4.269 4.420 -0.000 0.000 0.217 114 P C 1.407 178.731 177.300 0.040 0.000 1.150 114 P CA 1.961 65.127 63.100 0.109 0.000 0.832 114 P CB -0.067 31.651 31.700 0.030 0.000 0.787 115 Q N -1.160 118.629 119.800 -0.019 0.000 2.123 115 Q HA -0.043 4.297 4.340 0.001 0.000 0.199 115 Q C 2.098 178.058 176.000 -0.067 0.000 0.966 115 Q CA 1.059 56.823 55.803 -0.065 0.000 0.845 115 Q CB -0.356 28.306 28.738 -0.126 0.000 0.907 115 Q HN 0.295 8.565 8.270 -0.000 0.000 0.439 116 I N -0.821 119.696 120.570 -0.089 0.000 2.277 116 I HA -0.164 4.007 4.170 0.001 0.000 0.243 116 I C 1.166 176.944 176.117 -0.564 0.000 1.094 116 I CA 1.094 62.156 61.300 -0.398 0.000 1.393 116 I CB 0.071 37.663 38.000 -0.680 0.000 1.078 116 I HN 0.105 8.315 8.210 -0.000 0.000 0.417 117 F N 0.021 119.919 119.950 -0.087 0.000 2.721 117 F HA 0.338 4.865 4.527 0.001 0.000 0.301 117 F C 1.715 177.483 175.800 -0.054 0.000 1.096 117 F CA 0.255 58.199 58.000 -0.092 0.000 1.308 117 F CB 0.043 38.967 39.000 -0.127 0.000 1.086 117 F HN -0.072 8.228 8.300 -0.000 0.000 0.587 118 A N -0.345 122.531 122.820 0.093 0.000 2.600 118 A HA 0.208 4.529 4.320 0.001 0.000 0.252 118 A C 1.281 178.868 177.584 0.005 0.000 1.200 118 A CA -0.286 51.782 52.037 0.052 0.000 0.981 118 A CB -0.115 18.923 19.000 0.064 0.000 1.207 118 A HN 0.157 8.307 8.150 -0.000 0.000 0.577 119 K N 0.565 120.949 120.400 -0.025 0.000 2.938 119 K HA -0.231 4.089 4.320 0.001 0.000 0.250 119 K C -0.208 176.371 176.600 -0.034 0.000 0.939 119 K CA 0.973 57.234 56.287 -0.044 0.000 0.694 119 K CB -1.226 31.246 32.500 -0.046 0.000 1.267 119 K HN 0.784 9.034 8.250 -0.000 0.000 0.483 120 Q N 0.539 120.321 119.800 -0.030 0.000 2.317 120 Q HA 0.254 4.594 4.340 0.001 0.000 0.229 120 Q C -2.050 173.917 176.000 -0.055 0.000 0.984 120 Q CA -1.708 54.075 55.803 -0.032 0.000 0.911 120 Q CB 0.559 29.284 28.738 -0.021 0.000 1.217 120 Q HN 0.236 8.506 8.270 -0.000 0.000 0.501 121 P HA 0.008 4.428 4.420 -0.000 0.000 0.269 121 P C -1.245 176.003 177.300 -0.086 0.000 1.215 121 P CA -0.026 63.042 63.100 -0.053 0.000 0.780 121 P CB 0.503 32.186 31.700 -0.029 0.000 0.898 122 A N 2.861 125.619 122.820 -0.104 0.000 2.492 122 A HA 0.069 4.390 4.320 0.001 0.000 0.254 122 A C 0.721 178.295 177.584 -0.016 0.000 1.091 122 A CA -0.246 51.692 52.037 -0.164 0.000 0.768 122 A CB -0.669 18.262 19.000 -0.116 0.000 1.028 122 A HN 0.592 8.742 8.150 -0.000 0.000 0.498 123 N N 4.535 123.242 118.700 0.012 0.000 2.415 123 N HA 0.141 4.881 4.740 0.001 0.000 0.246 123 N C -1.503 174.122 175.510 0.192 0.000 1.078 123 N CA -1.950 51.154 53.050 0.090 0.000 0.942 123 N CB 1.217 39.744 38.487 0.067 0.000 1.140 123 N HN 0.365 8.745 8.380 -0.000 0.000 0.501 124 P HA -0.172 4.248 4.420 -0.000 0.000 0.218 124 P C 0.964 178.279 177.300 0.025 0.000 1.148 124 P CA 1.028 64.170 63.100 0.070 0.000 0.822 124 P CB 0.529 32.251 31.700 0.036 0.000 0.784 125 E N 0.206 120.427 120.200 0.034 0.000 2.077 125 E HA -0.170 4.180 4.350 0.001 0.000 0.193 125 E C 1.672 178.277 176.600 0.008 0.000 0.989 125 E CA 1.017 57.426 56.400 0.017 0.000 0.800 125 E CB -0.253 29.461 29.700 0.023 0.000 0.746 125 E HN 0.148 8.508 8.360 -0.000 0.000 0.452 126 N N 0.905 119.632 118.700 0.045 0.000 2.396 126 N HA -0.149 4.591 4.740 0.001 0.000 0.180 126 N C 1.659 177.104 175.510 -0.107 0.000 1.028 126 N CA 0.756 53.829 53.050 0.039 0.000 0.893 126 N CB -0.177 38.387 38.487 0.128 0.000 0.967 126 N HN 0.413 8.793 8.380 -0.000 0.000 0.440 127 E N 1.471 121.515 120.200 -0.260 0.000 2.106 127 E HA -0.110 4.240 4.350 0.001 0.000 0.192 127 E C 1.364 177.798 176.600 -0.277 0.000 0.984 127 E CA 0.883 56.865 56.400 -0.696 0.000 0.806 127 E CB 0.201 29.472 29.700 -0.715 0.000 0.750 127 E HN 0.245 8.605 8.360 -0.000 0.000 0.458 128 K N 0.512 120.830 120.400 -0.136 0.000 2.057 128 K HA -0.121 4.199 4.320 0.001 0.000 0.206 128 K C 2.223 178.798 176.600 -0.040 0.000 1.050 128 K CA 1.431 57.681 56.287 -0.061 0.000 0.935 128 K CB -0.004 32.474 32.500 -0.037 0.000 0.715 128 K HN 0.024 8.274 8.250 -0.000 0.000 0.439 129 K N 0.683 121.060 120.400 -0.039 0.000 2.097 129 K HA -0.097 4.224 4.320 0.001 0.000 0.206 129 K C 2.168 178.762 176.600 -0.010 0.000 1.049 129 K CA 1.264 57.544 56.287 -0.011 0.000 0.933 129 K CB -0.089 32.417 32.500 0.010 0.000 0.717 129 K HN 0.156 8.406 8.250 -0.000 0.000 0.442 130 M N 1.314 120.890 119.600 -0.040 0.000 2.117 130 M HA -0.222 4.258 4.480 0.001 0.000 0.262 130 M C 1.705 178.044 176.300 0.065 0.000 1.065 130 M CA 1.732 57.032 55.300 0.000 0.000 1.114 130 M CB 0.051 32.583 32.600 -0.114 0.000 1.361 130 M HN -0.011 8.279 8.290 -0.000 0.000 0.408 131 K N 0.082 120.551 120.400 0.114 0.000 2.057 131 K HA -0.164 4.157 4.320 0.001 0.000 0.207 131 K C 1.439 178.055 176.600 0.026 0.000 1.049 131 K CA 1.626 58.060 56.287 0.244 0.000 0.931 131 K CB -0.235 32.409 32.500 0.239 0.000 0.714 131 K HN 0.420 8.670 8.250 -0.000 0.000 0.440 132 D N 0.745 121.098 120.400 -0.079 0.000 2.178 132 D HA -0.129 4.511 4.640 0.001 0.000 0.201 132 D C 1.815 177.847 176.300 -0.447 0.000 0.980 132 D CA 1.102 54.917 54.000 -0.309 0.000 0.842 132 D CB -0.146 40.455 40.800 -0.331 0.000 0.948 132 D HN 0.200 8.570 8.370 -0.000 0.000 0.472 133 A N 0.842 123.575 122.820 -0.145 0.000 1.883 133 A HA -0.157 4.163 4.320 0.001 0.000 0.217 133 A C 2.542 180.098 177.584 -0.047 0.000 1.186 133 A CA 1.323 53.395 52.037 0.059 0.000 0.624 133 A CB -0.827 18.203 19.000 0.049 0.000 0.822 133 A HN 0.153 8.303 8.150 -0.000 0.000 0.444 134 V N -0.007 119.734 119.914 -0.288 0.000 2.490 134 V HA -0.185 3.936 4.120 0.001 0.000 0.250 134 V C 2.750 178.501 176.094 -0.571 0.000 1.061 134 V CA 1.862 63.858 62.300 -0.507 0.000 1.064 134 V CB -1.404 29.964 31.823 -0.759 0.000 0.670 134 V HN 0.638 8.828 8.190 -0.000 0.000 0.461 135 G N -0.721 107.762 108.800 -0.528 0.000 2.422 135 G HA2 -0.217 3.743 3.960 0.001 0.000 0.218 135 G HA3 -0.217 3.743 3.960 0.001 0.000 0.218 135 G C 1.391 176.104 174.900 -0.312 0.000 1.146 135 G CA 0.625 45.542 45.100 -0.305 0.000 0.769 135 G HN 0.438 8.728 8.290 -0.000 0.000 0.547 136 F N 0.253 120.015 119.950 -0.313 0.000 2.134 136 F HA 0.058 4.585 4.527 0.000 0.000 0.299 136 F C 2.394 177.397 175.800 -1.329 0.000 1.097 136 F CA 0.466 58.046 58.000 -0.700 0.000 1.264 136 F CB -0.824 37.882 39.000 -0.490 0.000 1.001 136 F HN 0.127 8.427 8.300 -0.000 0.000 0.479 137 L N 0.463 121.323 121.223 -0.605 0.000 2.093 137 L HA -0.172 4.168 4.340 0.001 0.000 0.208 137 L C 2.151 178.795 176.870 -0.377 0.000 1.085 137 L CA 1.686 56.203 54.840 -0.539 0.000 0.755 137 L CB -1.095 40.831 42.059 -0.221 0.000 0.904 137 L HN 0.156 8.386 8.230 -0.000 0.000 0.435 138 N N -1.264 117.279 118.700 -0.261 0.000 2.166 138 N HA -0.178 4.562 4.740 0.001 0.000 0.186 138 N C 1.491 176.957 175.510 -0.074 0.000 1.019 138 N CA 1.853 54.855 53.050 -0.081 0.000 0.856 138 N CB 0.108 38.650 38.487 0.090 0.000 0.993 138 N HN 0.436 8.816 8.380 -0.000 0.000 0.426 139 T N 0.726 115.190 114.554 -0.150 0.000 2.737 139 T HA -0.038 4.312 4.350 0.001 0.000 0.265 139 T C 1.547 176.263 174.700 0.027 0.000 1.038 139 T CA 0.817 62.880 62.100 -0.061 0.000 1.144 139 T CB -0.339 68.497 68.868 -0.053 0.000 0.866 139 T HN 0.149 8.389 8.240 -0.000 0.000 0.434 140 F N 1.471 121.355 119.950 -0.109 0.000 2.154 140 F HA 0.004 4.531 4.527 0.000 0.000 0.301 140 F C 2.017 177.739 175.800 -0.130 0.000 1.087 140 F CA 0.277 58.180 58.000 -0.162 0.000 1.274 140 F CB -1.269 37.557 39.000 -0.290 0.000 1.009 140 F HN 0.146 8.446 8.300 -0.000 0.000 0.485 141 L N -0.408 120.840 121.223 0.043 0.000 2.478 141 L HA -0.036 4.304 4.340 0.001 0.000 0.223 141 L C 0.675 177.561 176.870 0.026 0.000 1.140 141 L CA 0.040 54.878 54.840 -0.003 0.000 0.842 141 L CB -0.644 41.379 42.059 -0.060 0.000 0.953 141 L HN -0.067 8.163 8.230 -0.000 0.000 0.452 142 E N 1.480 121.703 120.200 0.037 0.000 2.905 142 E HA -0.032 4.318 4.350 0.001 0.000 0.240 142 E C 1.250 177.870 176.600 0.032 0.000 0.990 142 E CA 0.835 57.257 56.400 0.037 0.000 0.954 142 E CB -0.258 29.467 29.700 0.042 0.000 0.908 142 E HN 0.342 8.702 8.360 -0.000 0.000 0.532 143 G N 3.874 112.691 108.800 0.028 0.000 2.203 143 G HA2 -0.293 3.668 3.960 0.001 0.000 0.263 143 G HA3 -0.293 3.668 3.960 0.001 0.000 0.263 143 G C -0.145 174.766 174.900 0.019 0.000 1.012 143 G CA 0.597 45.710 45.100 0.021 0.000 0.749 143 G HN 0.510 8.800 8.290 -0.000 0.000 0.512 144 Q N -1.035 118.778 119.800 0.021 0.000 2.306 144 Q HA 0.507 4.847 4.340 0.001 0.000 0.265 144 Q C 0.866 176.867 176.000 0.002 0.000 1.022 144 Q CA -0.588 55.229 55.803 0.023 0.000 0.853 144 Q CB 1.895 30.653 28.738 0.034 0.000 1.327 144 Q HN 0.293 8.563 8.270 -0.000 0.000 0.449 145 E N 1.076 121.266 120.200 -0.016 0.000 2.076 145 E HA -0.038 4.312 4.350 0.001 0.000 0.190 145 E C -0.457 175.936 176.600 -0.346 0.000 0.979 145 E CA 1.429 57.725 56.400 -0.172 0.000 0.807 145 E CB 0.347 29.972 29.700 -0.126 0.000 0.761 145 E HN 0.474 8.834 8.360 -0.000 0.000 0.454 146 Y N -2.046 118.362 120.300 0.179 0.000 2.665 146 Y HA 0.569 5.120 4.550 0.000 0.000 0.336 146 Y C 1.018 176.988 175.900 0.116 0.000 1.085 146 Y CA -0.542 57.717 58.100 0.266 0.000 1.096 146 Y CB 1.069 39.669 38.460 0.234 0.000 1.301 146 Y HN -0.095 8.185 8.280 -0.000 0.000 0.493 147 A N 0.869 123.850 122.820 0.268 0.000 1.927 147 A HA -0.092 4.228 4.320 0.001 0.000 0.220 147 A C 1.560 179.161 177.584 0.029 0.000 1.185 147 A CA 2.537 54.585 52.037 0.017 0.000 0.639 147 A CB -1.021 17.984 19.000 0.007 0.000 0.820 147 A HN 0.845 8.995 8.150 -0.000 0.000 0.451 148 A N -2.401 120.474 122.820 0.092 0.000 2.606 148 A HA 0.574 4.894 4.320 0.001 0.000 0.290 148 A C 0.833 178.453 177.584 0.060 0.000 1.174 148 A CA 0.936 52.995 52.037 0.037 0.000 0.958 148 A CB -0.379 18.640 19.000 0.031 0.000 1.194 148 A HN 1.874 10.024 8.150 -0.000 0.000 0.526 149 G N -0.192 108.674 108.800 0.111 0.000 2.403 149 G HA2 0.005 3.965 3.960 0.001 0.000 0.223 149 G HA3 0.005 3.965 3.960 0.001 0.000 0.223 149 G C -0.239 174.768 174.900 0.179 0.000 1.287 149 G CA 0.058 45.222 45.100 0.108 0.000 0.982 149 G HN 0.016 8.306 8.290 -0.000 0.000 0.471 150 N N 1.000 119.799 118.700 0.165 0.000 2.392 150 N HA 0.134 4.874 4.740 0.001 0.000 0.177 150 N C -0.531 175.181 175.510 0.336 0.000 1.066 150 N CA 0.630 53.804 53.050 0.207 0.000 0.895 150 N CB 0.677 39.234 38.487 0.118 0.000 0.988 150 N HN 0.481 8.861 8.380 -0.000 0.000 0.457 151 D N 1.061 121.597 120.400 0.227 0.000 2.185 151 D HA 0.184 4.824 4.640 0.001 0.000 0.247 151 D C -0.045 176.163 176.300 -0.153 0.000 1.027 151 D CA -0.502 53.548 54.000 0.083 0.000 0.861 151 D CB 2.476 43.292 40.800 0.026 0.000 1.202 151 D HN -0.045 8.325 8.370 -0.000 0.000 0.453 152 L N 2.008 122.875 121.223 -0.594 0.000 2.410 152 L HA 0.158 4.498 4.340 0.001 0.000 0.273 152 L C 0.416 177.132 176.870 -0.256 0.000 1.152 152 L CA 0.404 54.757 54.840 -0.812 0.000 0.855 152 L CB 0.331 41.871 42.059 -0.865 0.000 1.129 152 L HN 0.509 8.739 8.230 -0.000 0.000 0.463 153 T N 1.287 115.777 114.554 -0.106 0.000 2.858 153 T HA 0.347 4.698 4.350 0.001 0.000 0.285 153 T C 1.332 176.058 174.700 0.043 0.000 1.052 153 T CA -0.357 61.750 62.100 0.013 0.000 1.009 153 T CB 1.018 69.934 68.868 0.080 0.000 1.241 153 T HN 0.601 8.841 8.240 -0.000 0.000 0.542 154 I N -0.894 119.713 120.570 0.061 0.000 2.700 154 I HA 0.104 4.274 4.170 0.001 0.000 0.261 154 I C 2.405 178.560 176.117 0.063 0.000 1.219 154 I CA 1.159 62.476 61.300 0.027 0.000 1.463 154 I CB -0.903 37.065 38.000 -0.052 0.000 1.092 154 I HN 0.659 8.869 8.210 -0.000 0.000 0.452 155 A N 1.828 124.711 122.820 0.105 0.000 1.898 155 A HA -0.186 4.134 4.320 0.001 0.000 0.216 155 A C 2.041 179.745 177.584 0.201 0.000 1.181 155 A CA 1.926 54.042 52.037 0.132 0.000 0.620 155 A CB -0.640 18.440 19.000 0.132 0.000 0.819 155 A HN 0.499 8.649 8.150 -0.000 0.000 0.442 156 D N 0.087 120.634 120.400 0.246 0.000 2.144 156 D HA -0.102 4.538 4.640 0.001 0.000 0.199 156 D C 1.971 178.476 176.300 0.341 0.000 0.984 156 D CA 1.097 55.356 54.000 0.432 0.000 0.834 156 D CB -0.187 40.847 40.800 0.389 0.000 0.955 156 D HN 0.451 8.821 8.370 -0.000 0.000 0.465 157 L N 0.526 121.858 121.223 0.182 0.000 2.056 157 L HA -0.137 4.203 4.340 0.001 0.000 0.207 157 L C 2.683 179.633 176.870 0.134 0.000 1.078 157 L CA 0.702 55.622 54.840 0.133 0.000 0.749 157 L CB -0.434 41.660 42.059 0.060 0.000 0.901 157 L HN -0.015 8.215 8.230 -0.000 0.000 0.433 158 S N 0.262 116.033 115.700 0.119 0.000 2.345 158 S HA -0.112 4.359 4.470 0.001 0.000 0.220 158 S C 2.024 176.706 174.600 0.137 0.000 1.031 158 S CA 1.035 59.285 58.200 0.083 0.000 0.996 158 S CB -0.197 63.031 63.200 0.048 0.000 0.882 158 S HN 0.283 8.594 8.310 -0.000 0.000 0.445 159 L N 1.115 122.478 121.223 0.233 0.000 2.131 159 L HA -0.075 4.266 4.340 0.001 0.000 0.210 159 L C 2.850 179.979 176.870 0.431 0.000 1.092 159 L CA 1.226 56.250 54.840 0.306 0.000 0.759 159 L CB -0.576 41.677 42.059 0.324 0.000 0.903 159 L HN 0.426 8.656 8.230 -0.000 0.000 0.435 160 A N -0.318 122.771 122.820 0.448 0.000 2.014 160 A HA -0.015 4.305 4.320 0.001 0.000 0.218 160 A C 2.487 180.213 177.584 0.236 0.000 1.163 160 A CA 1.337 53.577 52.037 0.338 0.000 0.652 160 A CB -0.456 18.718 19.000 0.290 0.000 0.808 160 A HN 0.377 8.527 8.150 -0.000 0.000 0.449 161 A N -1.054 121.852 122.820 0.143 0.000 1.929 161 A HA 0.001 4.321 4.320 0.001 0.000 0.216 161 A C 2.258 179.852 177.584 0.016 0.000 1.176 161 A CA 2.054 54.119 52.037 0.046 0.000 0.628 161 A CB -0.921 18.078 19.000 -0.000 0.000 0.816 161 A HN 0.386 8.536 8.150 -0.000 0.000 0.444 162 T N 0.375 114.955 114.554 0.043 0.000 2.770 162 T HA -0.037 4.313 4.350 0.001 0.000 0.263 162 T C 1.776 176.520 174.700 0.073 0.000 1.039 162 T CA 1.242 63.377 62.100 0.058 0.000 1.142 162 T CB -0.221 68.721 68.868 0.123 0.000 0.868 162 T HN 0.272 8.512 8.240 -0.000 0.000 0.435 163 I N 1.811 122.387 120.570 0.011 0.000 2.394 163 I HA -0.075 4.096 4.170 0.001 0.000 0.251 163 I C 2.858 178.929 176.117 -0.077 0.000 1.136 163 I CA 0.865 62.070 61.300 -0.158 0.000 1.425 163 I CB -1.501 36.237 38.000 -0.435 0.000 1.079 163 I HN 0.173 8.383 8.210 -0.000 0.000 0.425 164 A N 0.513 123.380 122.820 0.079 0.000 1.972 164 A HA -0.169 4.152 4.320 0.001 0.000 0.219 164 A C 2.377 180.112 177.584 0.252 0.000 1.169 164 A CA 2.183 54.420 52.037 0.333 0.000 0.635 164 A CB -0.878 18.302 19.000 0.300 0.000 0.810 164 A HN 0.433 8.583 8.150 -0.000 0.000 0.446 165 T N -1.576 113.033 114.554 0.092 0.000 2.812 165 T HA -0.087 4.263 4.350 0.001 0.000 0.264 165 T C 1.716 176.524 174.700 0.180 0.000 1.042 165 T CA 1.399 63.488 62.100 -0.019 0.000 1.140 165 T CB -0.425 68.150 68.868 -0.489 0.000 0.870 165 T HN 0.488 8.728 8.240 -0.000 0.000 0.445 166 Y N 1.733 122.038 120.300 0.009 0.000 2.128 166 Y HA -0.153 4.397 4.550 0.000 0.000 0.284 166 Y C 2.655 178.802 175.900 0.412 0.000 1.154 166 Y CA 1.377 59.650 58.100 0.288 0.000 1.149 166 Y CB -0.346 38.211 38.460 0.161 0.000 0.976 166 Y HN 0.294 8.574 8.280 -0.000 0.000 0.505 167 E N 0.148 120.739 120.200 0.651 0.000 2.023 167 E HA -0.222 4.129 4.350 0.001 0.000 0.196 167 E C 2.170 179.037 176.600 0.445 0.000 1.003 167 E CA 2.346 59.140 56.400 0.656 0.000 0.809 167 E CB -0.255 29.878 29.700 0.721 0.000 0.755 167 E HN 0.331 8.691 8.360 -0.000 0.000 0.449 168 V N -1.166 118.996 119.914 0.413 0.000 2.867 168 V HA -0.054 4.067 4.120 0.001 0.000 0.260 168 V C 2.066 178.303 176.094 0.239 0.000 1.099 168 V CA 1.606 64.118 62.300 0.355 0.000 1.122 168 V CB -0.764 31.320 31.823 0.436 0.000 0.708 168 V HN 0.345 8.535 8.190 -0.000 0.000 0.490 169 A N 0.126 123.076 122.820 0.217 0.000 2.208 169 A HA 0.462 4.782 4.320 0.001 0.000 0.209 169 A C 2.107 179.613 177.584 -0.130 0.000 1.161 169 A CA 1.019 52.887 52.037 -0.281 0.000 0.782 169 A CB -0.689 18.298 19.000 -0.022 0.000 0.816 169 A HN 1.722 9.872 8.150 -0.000 0.000 0.477 170 G N -1.925 106.927 108.800 0.087 0.000 2.157 170 G HA2 -0.260 3.701 3.960 0.001 0.000 0.239 170 G HA3 -0.260 3.701 3.960 0.001 0.000 0.239 170 G C 0.075 175.040 174.900 0.109 0.000 0.982 170 G CA 0.026 45.178 45.100 0.086 0.000 0.650 170 G HN 0.607 8.897 8.290 -0.000 0.000 0.527 171 F N 1.772 121.734 119.950 0.019 0.000 2.602 171 F HA 0.430 4.957 4.527 0.000 0.000 0.367 171 F C 0.627 176.257 175.800 -0.283 0.000 1.126 171 F CA 0.327 58.254 58.000 -0.121 0.000 1.321 171 F CB 0.766 39.687 39.000 -0.133 0.000 1.094 171 F HN 0.095 8.395 8.300 -0.000 0.000 0.594 172 D N 4.997 124.909 120.400 -0.814 0.000 2.396 172 D HA 0.141 4.781 4.640 0.001 0.000 0.225 172 D C -0.031 176.055 176.300 -0.357 0.000 1.121 172 D CA -0.155 53.575 54.000 -0.449 0.000 0.853 172 D CB 0.029 40.621 40.800 -0.346 0.000 1.043 172 D HN 0.344 8.714 8.370 -0.000 0.000 0.500 173 F N 2.345 122.443 119.950 0.247 0.000 2.797 173 F HA 0.238 4.765 4.527 0.001 0.000 0.302 173 F C 2.257 178.188 175.800 0.219 0.000 1.130 173 F CA 0.009 58.253 58.000 0.407 0.000 1.387 173 F CB -0.322 38.926 39.000 0.413 0.000 1.107 173 F HN 0.500 8.800 8.300 -0.000 0.000 0.577 174 A N 1.645 124.579 122.820 0.190 0.000 1.892 174 A HA -0.172 4.148 4.320 0.001 0.000 0.218 174 A C 0.058 177.622 177.584 -0.034 0.000 1.188 174 A CA 1.696 53.778 52.037 0.075 0.000 0.631 174 A CB -2.035 16.968 19.000 0.004 0.000 0.822 174 A HN 0.231 8.381 8.150 -0.000 0.000 0.447 175 P HA -0.034 4.386 4.420 -0.000 0.000 0.242 175 P C -0.806 176.153 177.300 -0.569 0.000 1.197 175 P CA 0.723 63.539 63.100 -0.475 0.000 0.765 175 P CB -0.189 31.087 31.700 -0.708 0.000 0.936 176 Y N 0.706 121.094 120.300 0.146 0.000 2.747 176 Y HA 0.293 4.843 4.550 0.001 0.000 0.362 176 Y C -1.315 174.683 175.900 0.164 0.000 1.026 176 Y CA -2.882 55.314 58.100 0.161 0.000 1.135 176 Y CB 0.572 39.181 38.460 0.248 0.000 1.175 176 Y HN -0.053 8.227 8.280 -0.000 0.000 0.643 177 P HA -0.207 4.213 4.420 -0.000 0.000 0.216 177 P C 0.718 178.116 177.300 0.162 0.000 1.150 177 P CA 1.628 64.820 63.100 0.152 0.000 0.843 177 P CB 0.618 32.372 31.700 0.090 0.000 0.787 178 N N -0.221 118.574 118.700 0.157 0.000 2.142 178 N HA -0.083 4.657 4.740 0.001 0.000 0.186 178 N C 1.957 177.585 175.510 0.197 0.000 1.023 178 N CA 0.926 54.059 53.050 0.138 0.000 0.852 178 N CB -1.136 37.404 38.487 0.090 0.000 0.998 178 N HN 0.074 8.454 8.380 -0.000 0.000 0.424 179 V N 1.705 121.751 119.914 0.221 0.000 2.307 179 V HA -0.168 3.953 4.120 0.001 0.000 0.245 179 V C 2.505 178.791 176.094 0.320 0.000 1.045 179 V CA 1.737 64.197 62.300 0.268 0.000 1.024 179 V CB -1.062 30.882 31.823 0.203 0.000 0.651 179 V HN 0.269 8.459 8.190 -0.000 0.000 0.449 180 A N 0.178 123.148 122.820 0.249 0.000 1.883 180 A HA -0.194 4.126 4.320 0.001 0.000 0.217 180 A C 2.431 180.114 177.584 0.165 0.000 1.186 180 A CA 2.494 54.651 52.037 0.200 0.000 0.624 180 A CB -0.895 18.238 19.000 0.221 0.000 0.822 180 A HN 0.584 8.734 8.150 -0.000 0.000 0.444 181 A N -1.305 121.609 122.820 0.157 0.000 1.858 181 A HA -0.121 4.199 4.320 0.001 0.000 0.216 181 A C 2.007 179.649 177.584 0.096 0.000 1.190 181 A CA 1.694 53.786 52.037 0.093 0.000 0.617 181 A CB -1.145 17.904 19.000 0.082 0.000 0.827 181 A HN 0.958 9.108 8.150 -0.000 0.000 0.443 182 W N 0.034 121.331 121.300 -0.005 0.000 2.315 182 W HA -0.288 4.372 4.660 0.001 0.000 0.323 182 W C 1.771 178.338 176.519 0.080 0.000 1.233 182 W CA 2.308 59.649 57.345 -0.007 0.000 1.267 182 W CB -0.824 28.651 29.460 0.026 0.000 1.160 182 W HN 0.330 8.510 8.180 -0.000 0.000 0.474 183 F N 1.665 121.430 119.950 -0.309 0.000 2.120 183 F HA -0.248 4.280 4.527 0.001 0.000 0.300 183 F C 2.291 177.783 175.800 -0.514 0.000 1.095 183 F CA 2.426 60.010 58.000 -0.693 0.000 1.249 183 F CB -1.350 37.435 39.000 -0.359 0.000 0.995 183 F HN 0.035 8.335 8.300 -0.000 0.000 0.480 184 A N 0.466 123.098 122.820 -0.313 0.000 1.877 184 A HA -0.204 4.116 4.320 0.001 0.000 0.216 184 A C 2.417 179.778 177.584 -0.371 0.000 1.186 184 A CA 1.682 53.495 52.037 -0.374 0.000 0.620 184 A CB -0.746 18.140 19.000 -0.191 0.000 0.822 184 A HN 0.421 8.571 8.150 -0.000 0.000 0.443 185 R N -1.125 119.204 120.500 -0.286 0.000 2.152 185 R HA -0.138 4.202 4.340 0.001 0.000 0.232 185 R C 2.126 178.292 176.300 -0.223 0.000 1.117 185 R CA 1.365 57.335 56.100 -0.216 0.000 0.981 185 R CB -0.644 29.534 30.300 -0.203 0.000 0.870 185 R HN 0.630 8.900 8.270 -0.000 0.000 0.451 186 C N 0.358 119.411 119.300 -0.412 0.000 2.486 186 C HA 0.005 4.466 4.460 0.001 0.000 0.279 186 C C 2.250 176.875 174.990 -0.608 0.000 1.302 186 C CA 0.448 59.226 59.018 -0.400 0.000 1.720 186 C CB -0.393 27.029 27.740 -0.531 0.000 2.030 186 C HN 0.439 8.669 8.230 -0.000 0.000 0.490 187 K N 1.211 121.038 120.400 -0.956 0.000 2.209 187 K HA -0.077 4.243 4.320 0.001 0.000 0.204 187 K C 1.938 178.122 176.600 -0.694 0.000 1.048 187 K CA 1.549 56.994 56.287 -1.404 0.000 0.940 187 K CB -0.170 31.664 32.500 -1.111 0.000 0.729 187 K HN 0.502 8.752 8.250 -0.000 0.000 0.451 188 A N 0.791 123.358 122.820 -0.422 0.000 2.095 188 A HA 0.048 4.368 4.320 0.001 0.000 0.212 188 A C 1.358 178.862 177.584 -0.133 0.000 1.162 188 A CA 0.521 52.423 52.037 -0.226 0.000 0.753 188 A CB 0.197 19.092 19.000 -0.174 0.000 0.840 188 A HN 0.167 8.317 8.150 -0.000 0.000 0.468 189 N N -0.521 118.108 118.700 -0.119 0.000 2.193 189 N HA 0.189 4.929 4.740 0.001 0.000 0.210 189 N C 0.371 175.859 175.510 -0.036 0.000 1.215 189 N CA 0.563 53.587 53.050 -0.043 0.000 0.901 189 N CB 0.410 38.913 38.487 0.028 0.000 1.060 189 N HN 0.310 8.690 8.380 -0.000 0.000 0.508 190 A N 2.859 125.657 122.820 -0.037 0.000 2.451 190 A HA 0.393 4.713 4.320 0.001 0.000 0.266 190 A C -2.261 175.359 177.584 0.061 0.000 1.119 190 A CA -0.780 51.275 52.037 0.029 0.000 0.786 190 A CB -0.161 18.915 19.000 0.127 0.000 1.061 190 A HN -0.075 8.075 8.150 -0.000 0.000 0.503 191 P HA 0.249 4.669 4.420 -0.000 0.000 0.265 191 P C 1.043 178.359 177.300 0.027 0.000 1.193 191 P CA 1.733 64.842 63.100 0.014 0.000 0.765 191 P CB 0.708 32.400 31.700 -0.012 0.000 0.823 192 G N 2.074 110.889 108.800 0.024 0.000 2.179 192 G HA2 -0.370 3.590 3.960 0.001 0.000 0.257 192 G HA3 -0.370 3.590 3.960 0.001 0.000 0.257 192 G C 0.808 175.721 174.900 0.021 0.000 1.010 192 G CA 0.321 45.426 45.100 0.007 0.000 0.736 192 G HN 0.533 8.823 8.290 -0.000 0.000 0.513 193 Y N 0.704 120.989 120.300 -0.025 0.000 2.256 193 Y HA -0.012 4.538 4.550 0.001 0.000 0.288 193 Y C 2.830 178.728 175.900 -0.003 0.000 1.155 193 Y CA 2.493 60.581 58.100 -0.019 0.000 1.203 193 Y CB -0.367 38.065 38.460 -0.046 0.000 0.980 193 Y HN 0.507 8.787 8.280 -0.000 0.000 0.530 194 A N -0.078 122.781 122.820 0.066 0.000 1.986 194 A HA -0.209 4.111 4.320 0.001 0.000 0.220 194 A C 2.215 179.775 177.584 -0.039 0.000 1.171 194 A CA 1.959 54.014 52.037 0.029 0.000 0.640 194 A CB -1.073 17.953 19.000 0.045 0.000 0.811 194 A HN 0.565 8.715 8.150 -0.000 0.000 0.451 195 L N -0.874 120.314 121.223 -0.057 0.000 2.156 195 L HA -0.129 4.212 4.340 0.001 0.000 0.208 195 L C 2.439 179.262 176.870 -0.079 0.000 1.095 195 L CA 1.323 56.140 54.840 -0.037 0.000 0.770 195 L CB -0.450 41.593 42.059 -0.026 0.000 0.914 195 L HN 0.467 8.697 8.230 -0.000 0.000 0.439 196 N N -0.112 118.454 118.700 -0.224 0.000 2.216 196 N HA -0.221 4.519 4.740 0.001 0.000 0.183 196 N C 1.863 177.201 175.510 -0.288 0.000 1.017 196 N CA 1.096 53.960 53.050 -0.311 0.000 0.861 196 N CB 0.074 38.205 38.487 -0.594 0.000 0.986 196 N HN 0.154 8.534 8.380 -0.000 0.000 0.428 197 Q N 0.238 119.833 119.800 -0.341 0.000 2.046 197 Q HA 0.099 4.440 4.340 0.001 0.000 0.200 197 Q C 1.878 177.883 176.000 0.008 0.000 0.975 197 Q CA 2.009 57.751 55.803 -0.101 0.000 0.836 197 Q CB -0.716 28.035 28.738 0.022 0.000 0.896 197 Q HN 0.390 8.660 8.270 -0.000 0.000 0.428 198 A N -0.189 122.635 122.820 0.006 0.000 1.877 198 A HA -0.045 4.276 4.320 0.001 0.000 0.216 198 A C 2.314 179.937 177.584 0.064 0.000 1.186 198 A CA 1.687 53.751 52.037 0.044 0.000 0.620 198 A CB -1.454 17.572 19.000 0.042 0.000 0.822 198 A HN 0.560 8.710 8.150 -0.000 0.000 0.443 199 G N -0.600 108.234 108.800 0.057 0.000 2.418 199 G HA2 0.015 3.975 3.960 0.001 0.000 0.217 199 G HA3 0.015 3.975 3.960 0.001 0.000 0.217 199 G C 1.736 176.706 174.900 0.116 0.000 1.158 199 G CA 1.449 46.600 45.100 0.085 0.000 0.771 199 G HN 0.801 9.091 8.290 -0.000 0.000 0.545 200 A N 1.129 124.009 122.820 0.101 0.000 1.902 200 A HA -0.056 4.264 4.320 0.001 0.000 0.217 200 A C 2.083 179.815 177.584 0.246 0.000 1.181 200 A CA 2.050 54.189 52.037 0.169 0.000 0.623 200 A CB -0.390 18.700 19.000 0.149 0.000 0.818 200 A HN 0.282 8.432 8.150 -0.000 0.000 0.443 201 D N -0.703 119.804 120.400 0.178 0.000 2.144 201 D HA -0.131 4.510 4.640 0.001 0.000 0.199 201 D C 1.862 178.255 176.300 0.155 0.000 0.984 201 D CA 1.576 55.678 54.000 0.169 0.000 0.834 201 D CB -0.237 40.635 40.800 0.121 0.000 0.955 201 D HN 0.618 8.988 8.370 -0.000 0.000 0.465 202 E N 0.080 120.362 120.200 0.137 0.000 2.072 202 E HA -0.157 4.194 4.350 0.001 0.000 0.191 202 E C 1.810 178.479 176.600 0.114 0.000 0.985 202 E CA 0.440 56.899 56.400 0.098 0.000 0.801 202 E CB -0.423 29.323 29.700 0.076 0.000 0.750 202 E HN 0.146 8.506 8.360 -0.000 0.000 0.452 203 F N 1.745 121.706 119.950 0.018 0.000 2.147 203 F HA -0.239 4.288 4.527 0.000 0.000 0.301 203 F C 1.712 177.478 175.800 -0.057 0.000 1.084 203 F CA 1.633 59.616 58.000 -0.029 0.000 1.268 203 F CB -0.100 38.908 39.000 0.013 0.000 1.009 203 F HN -0.040 8.260 8.300 -0.000 0.000 0.486 204 K N -0.080 120.374 120.400 0.092 0.000 2.442 204 K HA -0.153 4.168 4.320 0.001 0.000 0.200 204 K C 1.912 178.458 176.600 -0.089 0.000 1.045 204 K CA 0.706 57.049 56.287 0.094 0.000 0.937 204 K CB -0.461 32.160 32.500 0.202 0.000 0.757 204 K HN 0.367 8.617 8.250 -0.000 0.000 0.474 205 A N 0.910 123.636 122.820 -0.157 0.000 2.248 205 A HA -0.088 4.232 4.320 0.001 0.000 0.210 205 A C 1.369 178.770 177.584 -0.305 0.000 1.174 205 A CA 1.056 52.993 52.037 -0.166 0.000 0.750 205 A CB 0.080 19.008 19.000 -0.121 0.000 0.780 205 A HN 0.075 8.225 8.150 -0.000 0.000 0.478 206 K N -1.901 118.167 120.400 -0.554 0.000 2.402 206 K HA 0.254 4.574 4.320 0.001 0.000 0.203 206 K C -0.181 176.018 176.600 -0.668 0.000 1.077 206 K CA 0.196 56.014 56.287 -0.782 0.000 1.051 206 K CB 0.217 31.928 32.500 -1.315 0.000 0.907 206 K HN 0.434 8.684 8.250 -0.000 0.000 0.554 207 F N 0.202 119.929 119.950 -0.371 0.000 2.682 207 F HA 0.321 4.848 4.527 0.000 0.000 0.308 207 F C 1.441 177.163 175.800 -0.130 0.000 1.093 207 F CA -0.085 57.786 58.000 -0.215 0.000 1.244 207 F CB 0.233 39.157 39.000 -0.126 0.000 1.052 207 F HN -0.179 8.121 8.300 -0.000 0.000 0.573 208 L N -2.775 118.464 121.223 0.025 0.000 2.920 208 L HA 0.290 4.630 4.340 0.001 0.000 0.168 208 L C 0.929 177.776 176.870 -0.038 0.000 1.141 208 L CA 0.200 55.044 54.840 0.007 0.000 0.859 208 L CB -0.327 41.738 42.059 0.010 0.000 1.398 208 L HN -0.138 8.092 8.230 -0.000 0.000 0.517 209 S N 0.000 115.658 115.700 -0.070 0.000 2.498 209 S HA 0.000 4.470 4.470 0.001 0.000 0.327 209 S CA 0.000 58.152 58.200 -0.079 0.000 1.107 209 S CB 0.000 63.164 63.200 -0.061 0.000 0.593 209 S HN 0.000 8.310 8.310 -0.000 0.000 0.517